SCHEMBL652964

SCHEMBL652964

Cc1cc(C)c(NC(=O)OC(C)(C)C)cc1N

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CISD2 Q8N5K1 1/20 0.41
AAK1 Q2M2I8 5/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
LCK P06239 2/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
MAP4K4 O95819 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL653538 0.94 CISD2 (0.41) CISD2AAK1CA12CA1CA9
SCHEMBL7682127 0.86 CA12 (0.43) CISD2CA12CA1CA9LCK
SCHEMBL15584089 0.84 AAK1 (0.42) AAK1CA1NPSR1SMN1; SMN2
SCHEMBL4212736 0.82 CA12 (0.41) CISD2AAK1CA12CA1CA9
SCHEMBL4202989 0.82 AAK1 (0.43) CISD2AAK1CA12CA1CA9
SCHEMBL19605440 0.81 ALDH1A1 (0.47) CISD2AAK1CA12CA1CA9
SCHEMBL12072957 0.81 LCK (0.41) AAK1CA12CA1CA9LCK
SCHEMBL14691487 0.79 LMNA (0.43) CISD2AAK1CA12CA1CA9
SCHEMBL1322145 0.79 MAPT (0.54) CISD2AAK1CA12CA1CA9
SCHEMBL655194 0.79 POLB (0.48) CA12CA1CA9LCKLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628666-B1 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS INC (US) 2015-09-23 EP disclosed
EP-1628666-B1 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS INC (US) 2015-09-23 EP disclosed
US-8119680-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-8119680-B2 α-Haloketone derivatives of imidazolyl-substituted aromatic compounds and compounds prepared therefrom NEUROGENETIC PHARMACEUTICALS, INC. (US) 2012-02-21 US disclosed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-8017629-B2 Compounds and uses thereof in modulating amyloid β NEUROGENETIC PHARMACEUTICALS, INC. (US) 2011-09-13 US disclosed
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM NEUROGENETIC PHARMACEUTICALS, INC 2010-12-30 US disclosed
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM NEUROGENETIC PHARMACEUTICALS, INC 2010-12-30 US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 US disclosed
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA NEUROGENETIC PHARMACEUTICALS, INC. 2010-12-23 US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 US disclosed
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta TORREYPINES THERAPEUTICS INC. 2007-11-08 US disclosed
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease TORREYPINES THERAPEUTICS INC. 2007-10-25 US disclosed
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease TORREYPINES THERAPEUTICS INC. 2007-10-25 US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 US disclosed
US-7244739-B2 Compounds and uses thereof in modulating amyloid beta TORREYPINES THERAPEUTICS, INC. (US) 2007-07-17 US disclosed
EP-1628666-A2 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA Torreypines Therapeutics, Inc. (US) 2006-03-01 EP disclosed
US-20050070538-A1 Compounds and uses thereof in modulating amyloid beta SIROCCO THERAPEUTICS, INC. 2005-03-31 US disclosed
WO-2004110350-A2 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA TORREYPINES THERAPEUTICS, INC. (US) 2004-12-23 WO disclosed
WO-2004110350-A2 COMPOUDS AND USES THEREOF IN MODULATING AMYLOID BETA TORREYPINES THERAPEUTICS, INC. (US) 2004-12-23 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100324032-A1 COMPOUNDS AND USES THEREOF IN MODULATING AMYLOID BETA APP, BACE1, BACE2 CISD2 3390/4885AAK1 1434/4885CA12 2005/4885
US-20070260058-A1 Compounds and Uses Thereof in Modulating Amyloid Beta APP, BACE1, BACE2 CISD2 3390/4885AAK1 1434/4885CA12 2005/4885
US-20050070538-A1 Compounds and uses thereof in modulating amyloid beta APP, BACE1, BACE2 CISD2 3390/4885AAK1 1434/4885CA12 2005/4885
US-20100331551-A1 ALPHA-HALOKETONE DERIVATIVES OF IMIDAZOLYL-SUBSTITUTED AROMATIC COMPOUNDS AND COMPOUNDS PREPARED THEREFROM HYPK, APP, NEFM CISD2 3765/4885AAK1 15/4885CA12 4113/4885
US-20070249833-A1 such as 2-bromo-1-[6-(4-methyl-imidazole-1-yl)-pyridin-3-yl]-ethanone, which have activity in modulating levels of amyloid-beta, useful in the treatment of neurodegenerative diseases, such as Alzheimer's disease PSEN2, APP, BACE1 CISD2 2385/4885AAK1 51/4885CA12 4710/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.